1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride

C11H5Cl2F3N2O — CID 141317711

IUPAC1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cnn(-c2ccccc2Cl)c1C(F)(F)F
InChIInChI=1S/C11H5Cl2F3N2O/c12-7-3-1-2-4-8(7)18-9(11(14,15)16)6(5-17-18)10(13)19/h1-5H
InChIKeyXRJFCERYMLUXLA-UHFFFAOYSA-N
MW309.07 g/mol
LogP3.92
Rot. Bonds2

About 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride

1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride (PubChem CID 141317711) has the molecular formula C11H5Cl2F3N2O and a molecular weight of 309.07 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
PubChem CID141317711
Molecular FormulaC11H5Cl2F3N2O
Molecular Weight309.07 g/mol
Exact Mass307.97
IUPAC Name1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cnn(-c2ccccc2Cl)c1C(F)(F)F
InChIInChI=1S/C11H5Cl2F3N2O/c12-7-3-1-2-4-8(7)18-9(11(14,15)16)6(5-17-18)10(13)19/h1-5H
InChIKeyXRJFCERYMLUXLA-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 82527528
1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 11142236
2-phenylethanamine;1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 158062941
1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836206
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813721
1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-3-ylmethanamine
CID 159637242
azocan-1-yl-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55604786
1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836222
1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836227
N-(4-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39982766
1-(4,5-dichloro-2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 163322133
2-[[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119358426

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride?
The IUPAC name of 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride (CID 141317711) is 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride?
The canonical SMILES for 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride is O=C(Cl)c1cnn(-c2ccccc2Cl)c1C(F)(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride?
The InChIKey is XRJFCERYMLUXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2O/c12-7-3-1-2-4-8(7)18-9(11(14,15)16)6(5-17-18)10(13)19/h1-5H.
What are the key properties of 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride?
1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride has a molecular weight of 309.07 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride is sourced from PubChem (CID 141317711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).